[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-bromophenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-bromophenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-bromophenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3-bromophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-bromophenyl)methanone Traditional Name: (3-bromophenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H20BrN2O3+ MolecularWeight: 404.2777

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H19BrN2O3/c20-16-3-1-2-15(11-16)19(23)22-8-6-21(7-9-22)12-14-4-5-17-18(10-14)25-13-24-17/h1-5,10-11H,6-9,12-13H2/p+1